2-(2-chloro-4-fluorophenyl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxylic acid

C11H4ClF4NO3 — CID 103199380

IUPAC2-(2-chloro-4-fluorophenyl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxylic acid
SMILESO=C(O)c1oc(-c2ccc(F)cc2Cl)nc1C(F)(F)F
InChIInChI=1S/C11H4ClF4NO3/c12-6-3-4(13)1-2-5(6)9-17-8(11(14,15)16)7(20-9)10(18)19/h1-3H,(H,18,19)
InChIKeyVLEWPIXNAIGNBL-UHFFFAOYSA-N
MW309.60 g/mol
LogP3.85
Rot. Bonds2

About 2-(2-chloro-4-fluorophenyl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxylic acid

2-(2-chloro-4-fluorophenyl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxylic acid (PubChem CID 103199380) has the molecular formula C11H4ClF4NO3 and a molecular weight of 309.60 g/mol. Its IUPAC name is 2-(2-chloro-4-fluorophenyl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxylic acid.

Molecular Properties

Compound Name2-(2-chloro-4-fluorophenyl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxylic acid
PubChem CID103199380
Molecular FormulaC11H4ClF4NO3
Molecular Weight309.60 g/mol
Exact Mass308.98
IUPAC Name2-(2-chloro-4-fluorophenyl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxylic acid
SMILESO=C(O)c1oc(-c2ccc(F)cc2Cl)nc1C(F)(F)F
InChIInChI=1S/C11H4ClF4NO3/c12-6-3-4(13)1-2-5(6)9-17-8(11(14,15)16)7(20-9)10(18)19/h1-3H,(H,18,19)
InChIKeyVLEWPIXNAIGNBL-UHFFFAOYSA-N
XLogP3.85
TPSA63.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.60
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-4-fluorophenyl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxylic acid?
The IUPAC name of 2-(2-chloro-4-fluorophenyl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxylic acid (CID 103199380) is 2-(2-chloro-4-fluorophenyl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxylic acid.
What is the SMILES notation for 2-(2-chloro-4-fluorophenyl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxylic acid?
The canonical SMILES for 2-(2-chloro-4-fluorophenyl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxylic acid is O=C(O)c1oc(-c2ccc(F)cc2Cl)nc1C(F)(F)F.
What is the InChIKey of 2-(2-chloro-4-fluorophenyl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxylic acid?
The InChIKey is VLEWPIXNAIGNBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H4ClF4NO3/c12-6-3-4(13)1-2-5(6)9-17-8(11(14,15)16)7(20-9)10(18)19/h1-3H,(H,18,19).
What are the key properties of 2-(2-chloro-4-fluorophenyl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxylic acid?
2-(2-chloro-4-fluorophenyl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxylic acid has a molecular weight of 309.60 g/mol, XLogP of 3.85, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-4-fluorophenyl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxylic acid is sourced from PubChem (CID 103199380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).